1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-1-cyclopropylethanol

C15H21NO2 — CID 79127580

IUPAC1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-1-cyclopropylethanol
SMILESCC(O)(C1CC1)C1(CN)CCOc2ccccc21
InChIInChI=1S/C15H21NO2/c1-14(17,11-6-7-11)15(10-16)8-9-18-13-5-3-2-4-12(13)15/h2-5,11,17H,6-10,16H2,1H3
InChIKeyCQESTIYTAHGZKD-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.83
Rot. Bonds3

About 1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-1-cyclopropylethanol

1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-1-cyclopropylethanol (PubChem CID 79127580) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-1-cyclopropylethanol.

Molecular Properties

Compound Name1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-1-cyclopropylethanol
PubChem CID79127580
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-1-cyclopropylethanol
SMILESCC(O)(C1CC1)C1(CN)CCOc2ccccc21
InChIInChI=1S/C15H21NO2/c1-14(17,11-6-7-11)15(10-16)8-9-18-13-5-3-2-4-12(13)15/h2-5,11,17H,6-10,16H2,1H3
InChIKeyCQESTIYTAHGZKD-UHFFFAOYSA-N
XLogP1.83
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-1-cyclopropylethanol?
The IUPAC name of 1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-1-cyclopropylethanol (CID 79127580) is 1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-1-cyclopropylethanol.
What is the SMILES notation for 1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-1-cyclopropylethanol?
The canonical SMILES for 1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-1-cyclopropylethanol is CC(O)(C1CC1)C1(CN)CCOc2ccccc21.
What is the InChIKey of 1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-1-cyclopropylethanol?
The InChIKey is CQESTIYTAHGZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-14(17,11-6-7-11)15(10-16)8-9-18-13-5-3-2-4-12(13)15/h2-5,11,17H,6-10,16H2,1H3.
What are the key properties of 1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-1-cyclopropylethanol?
1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-1-cyclopropylethanol has a molecular weight of 247.34 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-1-cyclopropylethanol is sourced from PubChem (CID 79127580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).